[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone

C23H19FN4O — CID 31005506

IUPAC[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone
SMILESO=C(c1cc(-c2cn[nH]c2)nc2ccccc12)N1CC[C@@H](c2ccccc2F)C1
InChIInChI=1S/C23H19FN4O/c24-20-7-3-1-5-17(20)15-9-10-28(14-15)23(29)19-11-22(16-12-25-26-13-16)27-21-8-4-2-6-18(19)21/h1-8,11-13,15H,9-10,14H2,(H,25,26)/t15-/m1/s1
InChIKeyRLOGSVRHSJMWEA-OAHLLOKOSA-N
MW386.43 g/mol
LogP4.39
Rot. Bonds3

About [(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone

[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone (PubChem CID 31005506) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is [(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone
PubChem CID31005506
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC Name[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone
SMILESO=C(c1cc(-c2cn[nH]c2)nc2ccccc12)N1CC[C@@H](c2ccccc2F)C1
InChIInChI=1S/C23H19FN4O/c24-20-7-3-1-5-17(20)15-9-10-28(14-15)23(29)19-11-22(16-12-25-26-13-16)27-21-8-4-2-6-18(19)21/h1-8,11-13,15H,9-10,14H2,(H,25,26)/t15-/m1/s1
InChIKeyRLOGSVRHSJMWEA-OAHLLOKOSA-N
XLogP4.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone with MolForge

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Related Compounds

[3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone
CID 45207147
(2-ethylmorpholin-4-yl)-[6-ethyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone
CID 45207187
(4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 56913931
1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 133108166
(3-aminopiperidin-1-yl)-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 119380128
[2-(4-fluorophenyl)quinolin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119544927
ethyl (3R)-1-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperidine-3-carboxylate
CID 7745228
(3-aminopiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone;dihydrochloride
CID 119379560
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(4-methylphenyl)quinolin-4-yl]methanone;dihydrochloride
CID 119636722
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)quinolin-4-yl]methanone
CID 119646409
(3-phenylpyrrolidin-1-yl)-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]methanone;2,2,2-trifluoroacetic acid
CID 117078074
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone
CID 119542238

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone?
The IUPAC name of [(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone (CID 31005506) is [(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone.
What is the SMILES notation for [(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone?
The canonical SMILES for [(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone is O=C(c1cc(-c2cn[nH]c2)nc2ccccc12)N1CC[C@@H](c2ccccc2F)C1.
What is the InChIKey of [(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone?
The InChIKey is RLOGSVRHSJMWEA-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H19FN4O/c24-20-7-3-1-5-17(20)15-9-10-28(14-15)23(29)19-11-22(16-12-25-26-13-16)27-21-8-4-2-6-18(19)21/h1-8,11-13,15H,9-10,14H2,(H,25,26)/t15-/m1/s1.
What are the key properties of [(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone?
[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone has a molecular weight of 386.43 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone is sourced from PubChem (CID 31005506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).